2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

C38H38Cl2N6O4 — CID 170697184

About 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 170697184) has the molecular formula C38H38Cl2N6O4 and a molecular weight of 713.67 g/mol. Its IUPAC name is 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 170697184
• Molecular Formula: C38H38Cl2N6O4
• Molecular Weight: 713.67 g/mol
• Exact Mass: 712.23
• IUPAC Name: 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
• SMILES: COc1cc(-c2cncc(-c3cccc(-c4ccc(CN5CC6(CNC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1
• InChI: InChI=1S/C38H38Cl2N6O4/c1-49-31-10-23(6-7-24(31)15-45-19-37(20-45)11-32(47)42-17-37)28-13-41-14-29(35(28)40)26-4-3-5-27(34(26)39)30-9-8-25(36(44-30)50-2)16-46-21-38(22-46)12-33(48)43-18-38/h3-10,13-14H,11-12,15-22H2,1-2H3,(H,42,47)(H,43,48)
• InChIKey: OENDCTBKLYAMCX-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.67
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (CID 170697184) is 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is COc1cc(-c2cncc(-c3cccc(-c4ccc(CN5CC6(CNC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1.

What is the InChIKey of 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The InChIKey is OENDCTBKLYAMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Cl2N6O4/c1-49-31-10-23(6-7-24(31)15-45-19-37(20-45)11-32(47)42-17-37)28-13-41-14-29(35(28)40)26-4-3-5-27(34(26)39)30-9-8-25(36(44-30)50-2)16-46-21-38(22-46)12-33(48)43-18-38/h3-10,13-14H,11-12,15-22H2,1-2H3,(H,42,47)(H,43,48).

What are the key properties of 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 713.67 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 170697184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).